General Information of the Compound
| Compound ID |
CP0953160
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| Compound Name |
trans-[4,4-bis(hydroxymethyl)-1-piperidyl]-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methanone
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| Formula |
C26H27F3N2O3
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| Molecular Weight |
472.507
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC(CO)(CO)CC1
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| InChI |
InChI=1S/C26H27F3N2O3/c27-18-3-1-15(2-4-18)23-22(20-11-19(28)12-21(29)24(20)30-23)16-9-17(10-16)25(34)31-7-5-26(13-32,14-33)6-8-31/h1-4,11-12,16-17,30,32-33H,5-10,13-14H2/t16-,17-
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| InChIKey |
MWXHOTKBVUVUML-QAQDUYKDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound